Khayalenoid E
기본 정보
- CAS
1220508-29-1- 표준 SMILES
COC(=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)[C@@H]2C=C3[C@@H]4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O- InChIKey
YEAXMHFWUBJUEN-GYFLQMTFSA-N- 분자식
- C29H34O9
- 평균 분자량
- 526.6 g/mol
개요
methyl (2S)-2-(acetyloxy)-2-[(1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-11-en-16-yl]acetate has been reported in Khaya senegalensis with data available.
이름 및 식별자
- 우선 이름
- Khayalenoid E
- IUPAC
- methyl (2S)-2-acetyloxy-2-[(1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetate
- 영어명
- Khayaleid E
- 분자식
- C29H34O9
- 분자량
- 526.57
이름 및 동의어
Khayalenoid Emethyl (2S)-2-acetyloxy-2-[(1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-11-en-16-yl]acetatemethyl (2S)-2-acetyloxy-2-((1R,2S,5R,6R,10S,13S,16S)-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,14,17-trioxo-7-oxatetracyclo(11.3.1.02,11.05,10)heptadec-11-en-16-yl)acetateRefChem:1511871220508-29-1CHEMBL2373965AKOS032948194CS-01495397,11-Methano-2H-cycloocta[f][2]benzopyran-8-acetic acid, |A-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (|AS,4R,4aR,6aS,7R,8S,11S,12bS)-7,11-Methano-2H-cycloocta[f][2]benzopyran-8-acetic acid, alpha-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (alphaS,4R,4aR,6aS,7R,8S,11S,12bS)-KhayalenoidKhayaleid E
이름 더 보기
7,11-Methano-2H-cycloocta[f][2]benzopyran-8-acetic acid, α-(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12b-dodecahydro-4a,7,9,9-tetramethyl-2,10,13-trioxo-, methyl ester, (αS,4R,4aR,6aS,7R,8S,11S,12bS)-
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,120
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